2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide

C19H29N3O3S — CID 24957850

IUPAC2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1NC(=O)CC1CCCNC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-15-8-5-6-13-22(15)21-18(23)14-16-9-7-12-20-19(16)26(24,25)17-10-3-2-4-11-17/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H,21,23)
InChIKeyPSRCPBXFNDHBOB-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.08
Rot. Bonds5

About 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide

2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide (PubChem CID 24957850) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide
PubChem CID24957850
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1NC(=O)CC1CCCNC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-15-8-5-6-13-22(15)21-18(23)14-16-9-7-12-20-19(16)26(24,25)17-10-3-2-4-11-17/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H,21,23)
InChIKeyPSRCPBXFNDHBOB-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-1-yl)benzamide
CID 72760712
N-(2-methylpiperidin-1-yl)benzenesulfonamide
CID 140593026
2-[methyl(diphenyl)-λ4-sulfanyl]-1-pyrrolidin-2-ylethanone
CID 169145096
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1190400
N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
CID 70467593
2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 51099652
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide (CID 24957850) is 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1NC(=O)CC1CCCNC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is PSRCPBXFNDHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-8-5-6-13-22(15)21-18(23)14-16-9-7-12-20-19(16)26(24,25)17-10-3-2-4-11-17/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H,21,23).
What are the key properties of 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide?
2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)piperidin-3-yl]-N-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 24957850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).